Geometry & MOs

Info

ID:	207832
PubChem CID:	80457573
Reduced:	OSN2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	265.106256
ΔH_f, kcal/mol:	-0.56
Dipole, Da:	6.22
IP(EA), eV:	-8.18(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-methoxy-2-nitroanilino)piperidin-2-one

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)NC(=S)N2CC3CCC3

DOS

IR

Vibrations